4-Isopropyl-3-thiosemicarbazide
TL;DR: 4-Isopropyl-3-thiosemicarbazide (CAS 13431-36-2) is a chemical compound with molecular formula C4H11N3S and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-propan-2-ylthiourea
Also Known As: 4-Isopropyl-3-thiosemicarbazide, N-Isopropylhydrazinecarbothioamide, 1-amino-3-propan-2-ylthiourea, 4-Isopropylthiosemicarbazide, 1-amino-3-isopropylthiourea
| Molecular Formula | C4H11N3S |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | -0.2674 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.06737 |
| Heavy Atoms | 8 |
| Complexity | 81.35261 |
Chemical Identifiers
| CAS Number | 13431-36-2 |
|---|---|
| SMILES | CC(C)NC(=S)NN |
Product Overview
4-Isopropyl-3-thiosemicarbazide (CAS 13431-36-2), with molecular formula C4H11N3S and molecular weight 133.07 g/mol. IUPAC: 1-amino-3-propan-2-ylthiourea.
Chemical Property Profile of 4-Isopropyl-3-thiosemicarbazide
Property Insights of 4-Isopropyl-3-thiosemicarbazide
The XLogP value of -0.2674 indicates that 4-Isopropyl-3-thiosemicarbazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.08 Ų, 4-Isopropyl-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-3-thiosemicarbazide has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isopropyl-3-thiosemicarbazide?
The CAS number of 4-Isopropyl-3-thiosemicarbazide is 13431-36-2.
What is the molecular formula of 4-Isopropyl-3-thiosemicarbazide?
The molecular formula of 4-Isopropyl-3-thiosemicarbazide is C4H11N3S.
What is the molecular weight of 4-Isopropyl-3-thiosemicarbazide?
The molecular weight of 4-Isopropyl-3-thiosemicarbazide is 133.07 g/mol.
Where can I buy 4-Isopropyl-3-thiosemicarbazide?
You can request a quote for 4-Isopropyl-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.